SCHEMBL9015607

SCHEMBL9015607

CC(C)(C#CC(C)(C)OOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
ALOX5 P09917 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
TNFRSF1A P19438 1/20 0.39
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9015752 0.84 LMNA (0.53) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015650 0.82 LMNA (0.49) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015597 0.79 LMNA (0.45) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL755528 0.75 GAA (0.59) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015670 0.75 GAA (0.52) LMNAALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL19176394 0.74 LMNA (0.50) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL11611460 0.74 LMNA (0.50) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015746 0.74 LMNA (0.48) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL27902083 0.73 SMN1; SMN2 (0.50) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL7943043 0.72 LMNA (0.49) LMNARECQLALOX5PTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed